NSC154846

CAS Number: 33634-59-2
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[NH-]CCO.[NH-]CCO.I[Pt+2]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I2Pt.C2H6NO.C2H6NO
Molecular Weight
60.0756
Drug-likeness
-1.6555
CAS
33634-59-2
InChI key
FWEKBUQWXZGOQC-UHFFFAOYSA-L
SMILES
[NH-]CCO.[NH-]CCO.I[Pt+2]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 33634-59-2
Molecule Name NSC154846
Molecular Formula I2Pt.C2H6NO.C2H6NO
SMILES [NH-]CCO.[NH-]CCO.I[Pt+2]I
InChI InChI=1S/2C2H6NO.2HI.Pt/c2*3-1-2-4;;;/h2*3-4H,1-2H2;2*1H;/q2*-1;;;+4/p-2
InChI Key FWEKBUQWXZGOQC-UHFFFAOYSA-L
CanonicalSyTyLFy 83d2fc16325b8142
TotalMolweight 569.031
Molecular Weight 60.0756
MonoisotopicMass 60.044939
CLogP -4.4448
CLogS -0.046
H Acceptors 2
H Donors 2
TotalSurfaceArea 40.62
Relative PSA 0.3225
PolarSurfaceArea 20.23
Drug-likeness -1.6555
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.71082
Fragments 3
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1

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